(4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate

C16H15BrFNO3 — CID 19695036

IUPAC(4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate
SMILESCOc1ccc(COC(=O)NCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H15BrFNO3/c1-21-14-6-2-11(3-7-14)10-22-16(20)19-9-12-4-5-13(17)8-15(12)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyPXAWLQORXHGQKB-UHFFFAOYSA-N
MW368.20 g/mol
LogP4.02
Rot. Bonds5

About (4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate

(4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate (PubChem CID 19695036) has the molecular formula C16H15BrFNO3 and a molecular weight of 368.20 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate
PubChem CID19695036
Molecular FormulaC16H15BrFNO3
Molecular Weight368.20 g/mol
Exact Mass367.02
IUPAC Name(4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate
SMILESCOc1ccc(COC(=O)NCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H15BrFNO3/c1-21-14-6-2-11(3-7-14)10-22-16(20)19-9-12-4-5-13(17)8-15(12)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyPXAWLQORXHGQKB-UHFFFAOYSA-N
XLogP4.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate (CID 19695036) is (4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate is COc1ccc(COC(=O)NCc2ccc(Br)cc2F)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate?
The InChIKey is PXAWLQORXHGQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO3/c1-21-14-6-2-11(3-7-14)10-22-16(20)19-9-12-4-5-13(17)8-15(12)18/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of (4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate?
(4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate has a molecular weight of 368.20 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 19695036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).